Geometry & MOs

Info

ID:	247583
PubChem CID:	103072302
Reduced:	ON3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	-28.09
Dipole, Da:	4.08
IP(EA), eV:	-8.9(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(4-phenylpyrazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CNCC(=C)CN1CCN(C1=O)C

DOS

IR

Vibrations